6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one

C16H23N7O — CID 39894375

IUPAC6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(NCc2c(C)nn(C)c2C)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C16H23N7O/c1-7-23-15(24)14-13(10(3)20-22(14)6)18-16(23)17-8-12-9(2)19-21(5)11(12)4/h7-8H2,1-6H3,(H,17,18)
InChIKeyBBWDAFFFWQBZDZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.42
Rot. Bonds4

About 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one

6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39894375) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39894375
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(NCc2c(C)nn(C)c2C)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C16H23N7O/c1-7-23-15(24)14-13(10(3)20-22(14)6)18-16(23)17-8-12-9(2)19-21(5)11(12)4/h7-8H2,1-6H3,(H,17,18)
InChIKeyBBWDAFFFWQBZDZ-UHFFFAOYSA-N
XLogP1.42
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one with MolForge

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Related Compounds

6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39894200
2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835200
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 28610096
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486
6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757176
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
CID 56725995
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one (CID 39894375) is 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one is CCn1c(NCc2c(C)nn(C)c2C)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BBWDAFFFWQBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-7-23-15(24)14-13(10(3)20-22(14)6)18-16(23)17-8-12-9(2)19-21(5)11(12)4/h7-8H2,1-6H3,(H,17,18).
What are the key properties of 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one?
6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 329.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39894375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).